7CFN
 
 | | Cryo-EM structure of the INT-777-bound GPBAR-Gs complex | | Descriptor: | (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid, CHOLESTEROL, G-protein coupled bile acid receptor 1, ... | | Authors: | Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y. | | Deposit date: | 2020-06-27 | | Release date: | 2020-09-09 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
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4HOX
 | | The crystal structure of isomaltulose synthase from Erwinia rhapontici NX5 in complex with Tris | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Xu, Z, Li, S, Xu, H, Zhou, J. | | Deposit date: | 2012-10-23 | | Release date: | 2013-11-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of isomaltulose synthase from Erwinia rhapontici NX5 in complex with Tris
to be published
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4HP5
 | | The crystal structure of isomaltulose synthase mutant E295A from Erwinia rhapontici NX5 in complex with D-glucose | | Descriptor: | CALCIUM ION, GLYCEROL, Sucrose isomerase, ... | | Authors: | Xu, Z, Li, S, Xu, H, Zhou, J. | | Deposit date: | 2012-10-23 | | Release date: | 2013-11-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of isomaltulose synthase mutant E295A from Erwinia rhapontici NX5 in complex with D-glucose
to be published
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7E2M
 | | Crystal structure of the RWD domain of human GCN2 - 2 | | Descriptor: | eIF-2-alpha kinase GCN2 | | Authors: | Hei, Z, Zhou, J, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures reveal a novel dimer of the RWD domain of human general control nonderepressible 2.
Biochem.Biophys.Res.Commun., 549, 2021
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7E2K
 | | Crystal structure of the RWD domain of human GCN2 - 1 | | Descriptor: | eIF-2-alpha kinase GCN2 | | Authors: | Hei, Z, Zhou, J, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | Crystal structures reveal a novel dimer of the RWD domain of human general control nonderepressible 2.
Biochem.Biophys.Res.Commun., 549, 2021
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7EA9
 | | Crystal Structure of human lysyl-tRNA synthetase Y145H mutant | | Descriptor: | 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, GLYCEROL, Lysine--tRNA ligase | | Authors: | Wu, S, Hei, Z, Zheng, L, Zhou, J, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2021-03-06 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analyses of a human lysyl-tRNA synthetase mutant associated with autosomal recessive nonsyndromic hearing impairment.
Biochem.Biophys.Res.Commun., 554, 2021
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5X5R
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7CVN
 | | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | | Authors: | Wang, X, Zhou, J, Xu, B. | | Deposit date: | 2020-08-26 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Design,synthesis,biological evaluation and binding mode analysis of 7-nitro-indole-N-acylarylsulfonamide-based fructose-1,6-bisphosphatase inhibitors
Chinese journal of medicinal chemistry, 30, 2020
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6LY4
 | | The crystal structure of the BM3 mutant LG-23 in complex with testosterone | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ... | | Authors: | Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T. | | Deposit date: | 2020-02-13 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5WRY
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | N-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-[(2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)methyl]-2-fluorobenzamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-04 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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5WRZ
 | | Structure of human PARP1 catalytic domain bound to a phthalazinone inhibitor | | Descriptor: | 7-fluoranyl-4-[[(3R)-pyrrolidin-3-yl]methoxy]-2H-phthalazin-1-one, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-04 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a phthalazinone inhibitor
To Be Published
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5WRQ
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-03 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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5WTC
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | Descriptor: | 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
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5WS0
 | | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor | | Descriptor: | 2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-04 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
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5WS1
 | | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor | | Descriptor: | 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | Deposit date: | 2016-12-04 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
To Be Published
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6JJ8
 | | Crystal structure of OsHXK6-ATP-Mg2+ complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | Deposit date: | 2019-02-25 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of OsHXK6-ATP-Mg2+ complex
To Be Published
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6JJ7
 | | Crystal structure of OsHXK6-Glc complex | | Descriptor: | Rice hexokinase 6, beta-D-glucopyranose | | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | Deposit date: | 2019-02-25 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of OsHXK6-Glc complex
To Be Published
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6JJ4
 | | Crystal structure of OsHXK6-apo form | | Descriptor: | Hexokinase-6 | | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | Deposit date: | 2019-02-25 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of OsHXK6-apo
To Be Published
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6JJ9
 | | Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Hexokinase-6, MAGNESIUM ION, ... | | Authors: | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | Deposit date: | 2019-02-25 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of OsHXK6-Glc-ATP-Mg2+ complex
To Be Published
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6L6W
 | | The structure of ScoE with intermediate | | Descriptor: | (3R)-3-[[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]butanoic acid, FE (II) ION, FORMIC ACID, ... | | Authors: | Chen, T.Y, Chen, J, Zhou, J, Chang, W. | | Deposit date: | 2019-10-29 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6L6X
 | | The structure of ScoE with substrate | | Descriptor: | (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, D(-)-TARTARIC ACID, FE (II) ION, ... | | Authors: | Chen, T.Y, Chen, J, Zhou, J, Chang, W. | | Deposit date: | 2019-10-29 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6L86
 | | The structure of SfaA | | Descriptor: | (2S)-2-hydroxybutanedioic acid, D-MALATE, FE (II) ION, ... | | Authors: | Chen, T.Y, Chen, J, Zhou, J, Chang, W. | | Deposit date: | 2019-11-05 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Pathway from N-Alkylglycine to Alkylisonitrile Catalyzed by Iron(II) and 2-Oxoglutarate-Dependent Oxygenases.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7EZR
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2021-06-01 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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7EZF
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2021-06-01 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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7EZP
 | | Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1 | | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2021-06-01 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
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